2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

C15H13N3O4S — CID 2229030

IUPAC2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C15H13N3O4S/c1-22-6-5-18-13(20)10-3-2-9(8-11(10)14(18)21)12(19)17-15-16-4-7-23-15/h2-4,7-8H,5-6H2,1H3,(H,16,17,19)
InChIKeySECPWAZXKVXGSJ-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 2229030) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID2229030
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C15H13N3O4S/c1-22-6-5-18-13(20)10-3-2-9(8-11(10)14(18)21)12(19)17-15-16-4-7-23-15/h2-4,7-8H,5-6H2,1H3,(H,16,17,19)
InChIKeySECPWAZXKVXGSJ-UHFFFAOYSA-N
XLogP1.64
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 2229030) is 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is COCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is SECPWAZXKVXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-22-6-5-18-13(20)10-3-2-9(8-11(10)14(18)21)12(19)17-15-16-4-7-23-15/h2-4,7-8H,5-6H2,1H3,(H,16,17,19).
What are the key properties of 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 2229030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).